SCHEMBL6778787

SCHEMBL6778787

COc1ccc([S+](C(=O)c2ccc(C)cc2)c2ccc(OC)cc2)cc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 5/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
MAPK1 P28482 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6784650 0.99 MAPT (0.40) MAPTALDH1A1LMNATP53CYP1A2
Trifluoromethanesulfonic Acid SCHEMBL6779543 0.87 MAPT (0.44) MAPTALDH1A1LMNATP53CYP1A2
SCHEMBL2898530 0.85 ACHE (0.39) MAPTALDH1A1LMNATP53CYP1A2
SCHEMBL2903842 0.84 ACHE (0.40) MAPTALDH1A1LMNATP53CYP1A2
SCHEMBL6778723 0.81 MAPT (0.50) MAPTALDH1A1LMNATP53CYP1A2
SCHEMBL6778487 0.80 MAPT (0.46) MAPTALDH1A1LMNATP53CYP1A2
SCHEMBL503835 0.80 HSD11B1 (0.40) MAPTALDH1A1LMNATP53NPC1
SCHEMBL5856487 0.79 HSD11B1 (0.39) ALDH1A1TP53NPC1RAB9AKMT2A
SCHEMBL454990 0.78 HSD11B1 (0.40) MAPTALDH1A1LMNATP53NPC1
SCHEMBL6776743 0.78 MAPT (0.43) MAPTALDH1A1LMNATP53CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770780-B1 QUATERNIZATION OF T-BUTYL BROMOACETATE WITH TRI(N-BUTYL)PHOSPHINE TO FORM PHOSPHONIUM SALT; REACTING WITH BASE TO FORM PHOSPHORUS YLIDE; FORMING 2,4,6-TRIS(3', 5'-DI-T-BUTYL-4'-HYDROXYBENZYL)METHYL-STYRENE; HYDROLYSIS JSR CORPORATION (JP) 2004-08-03 US disclosed
EP-1231205-A1 VINYLPHENYLPROPIONIC ACID DERIVATIVES, PROCESSES FOR PRODUCTION OF THE DERIVATIVES, POLYMERS THEREOF AND RADIOSENSITIVE RESIN COMPOSITIONS JSR Corporation (JP) 2002-08-14 EP disclosed